Molecular Properties | |
SMILES: | COc1cccc(CCN(C(=O)c2cc(=O)[nH]c3cccc(N(C)C)c23)c2cccc(Cl)c2)c1 |
MW: | 475.17 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 65.64 |
cLogP: | 5.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-fc6c627f-1
0.774
ALP-POS-ddb41b15-4
0.663
ALP-POS-19e898d3-2
0.646
ALP-POS-19e898d3-1
0.460
ALP-POS-fc6c627f-3
0.404
ALP-POS-ddb41b15-3
0.356
EDJ-MED-edeb0d3a-3
0.351
ERI-UCB-a0b0dbcb-11
0.316
ALP-POS-bea7b391-2
0.309
EDJ-MED-edeb0d3a-2
0.308
MAT-POS-3b536971-1
0.308
JAN-GHE-82a280f8-2
0.305
MAT-POS-3b536971-2
0.302
ALP-POS-bea7b391-3
0.290
ERI-UCB-ce40166b-23
0.289
ALP-POS-75715966-3
0.289
VLA-UNK-eaa804fd-3
0.288
MIC-UNK-cdc2493e-3
0.286
EDJ-MED-d1cd9639-2
0.286
DAR-DIA-8e329c92-10
0.284
MAT-UCB-93f6aed8-2
0.282
DAR-DIA-1a77c53a-23
0.279
DAR-DIA-1a77c53a-17
0.277
ALP-POS-ddb41b15-9
0.276
ALP-POS-ddb41b15-2
0.273
JAN-GHE-82a280f8-3
0.273
EDJ-MED-edeb0d3a-1
0.273
BEN-DND-b89db3f2-5
0.273
EDJ-MED-bbe8e3da-3
0.273
DAR-DIA-1a77c53a-1
0.273
DAR-DIA-1a77c53a-14
0.271
DAR-DIA-1a77c53a-21
0.270
DAR-DIA-1a77c53a-12
0.269
DAR-DIA-1a77c53a-13
0.269
DAR-DIA-1a77c53a-9
0.268
MAR-TRE-d3c2bf0e-54
0.267
BEN-DND-1e24cf73-6
0.267
DAR-DIA-1a77c53a-2
0.266
DAR-DIA-1a77c53a-8
0.266
DAR-DIA-1a77c53a-3
0.265
DAR-DIA-1a77c53a-4
0.265
DAR-DIA-1a77c53a-19
0.265
DAR-DIA-1a77c53a-24
0.265
MAT-POS-3b92565d-5
0.265
EDJ-MED-6af13d92-3
0.265
NAU-LAT-a5c7d7cb-7
0.265
ALP-POS-05819dc4-1
0.264
DAR-DIA-1a77c53a-11
0.263
DAR-DIA-1a77c53a-10
0.263
DAR-DIA-1a77c53a-16
0.263
DAR-DIA-1a77c53a-22
0.263
NAU-LAT-a5c7d7cb-9
0.263
DAR-DIA-1a77c53a-15
0.261
DAR-DIA-1a77c53a-7
0.260
JAN-GHE-83b26c96-16
0.259
EDJ-MED-6af13d92-1
0.258
DAR-DIA-1a77c53a-5
0.257
DAR-DIA-1a77c53a-6
0.257
JOR-UNI-2fc98d0b-2
0.257
BEN-DND-1e24cf73-7
0.256
MAT-POS-590ac91e-43
0.256
MAR-TRE-4f781e27-37
0.255
MIC-UNK-cdc2493e-19
0.254
DAR-DIA-1a77c53a-18
0.254
DAR-DIA-1a77c53a-20
0.254
MAR-TRE-9d18ae8c-86
0.252
MAR-TRE-3e4e6814-72
0.252
MAT-POS-e1b5ac6b-1
0.250
ROB-UNI-daaf9793-1
0.250
JOR-UNI-2fc98d0b-11
0.250
MIC-UNK-bcd487e9-1
0.250
ERI-UCB-a0b0dbcb-12
0.250
JAN-GHE-f4ca5a00-10
0.250
MIC-UNK-cdc2493e-24
0.248
CHO-MSK-00c5269a-2
0.248
MIC-UNK-bcd487e9-7
0.248
MIC-UNK-bcd487e9-8
0.248
MIC-UNK-cdc2493e-16
0.248
EDJ-MED-6af13d92-2
0.248
MIC-UNK-67d4a29a-4
0.248
JAN-GHE-f4ca5a00-11
0.248
EDJ-MED-6e43a462-1
0.248
MAT-UCB-93f6aed8-1
0.246
EDJ-MED-bbe8e3da-2
0.246
EDJ-MED-bbe8e3da-4
0.246
JOR-UNI-2fc98d0b-6
0.246
JOR-UNI-2fc98d0b-10
0.246
JUL-TUD-06b2044f-43
0.246
JOR-UNI-2fc98d0b-8
0.246
RAL-THA-2d450e86-11
0.246
MAR-TRE-8190bb11-58
0.245
EDJ-MED-bbe8e3da-1
0.244
ADA-UCB-6c2cb422-11
0.244
ERI-UCB-a0b0dbcb-1
0.244
EDG-MED-0da5ad92-20
0.244
MAR-TRE-36bf7dba-54
0.243
RAY-UNI-5365d7e5-1
0.242
JOR-UNI-2fc98d0b-15
0.242
MAR-UCB-f313ec4d-5
0.242
BEN-DND-7e92b6ca-12
0.242